Structure of PDB 7mgq Chain B Binding Site BS01

Receptor Information
>7mgq Chain B (length=590) Species: 5207 (Cryptococcus neoformans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAPIALLSVYDKTGLLPFAKSLKELGFRLLGSGGTAKMIREAGMEIEDVS
NITKAPEMLGGRVKTLHPAVHGGILSRDIPSDLADLATNKISPITLVVCN
LYPFVLQTAKPDCTLAGAIEEIDIGGVTLLRAAAKNHGRVSIISSPSDYE
TIVAELRAKGEVSAETRRGLAIKAFEDTKSYDEAISDYFRKVYATPGVEE
EMKAGAGVGYQRLGLRYGANPHQKPAQAFVEQGEMPIKVLSGSPGYINLL
DALNSWALVKELAAGLDLPAAASFKHVSPAGAAVGLPLDERAAKVFGVED
LKELSPLACAYARARGADRMSSFGDFIALSHTVDTPTAKIISREVSDGVI
APGYEPEALEILSKKKGGKYCVLQMDPTYVPPEIETRQVYGISLQQKRND
CKIDESLFKNVVTANKDLPKSAVTDLVVATLALKYTQSNSVCYALNGTVI
GLGAGQQSRIHCTRLAGDKADNWWLRHHPRVLELPADKANAIDLFVTGQA
FEAAQWESLFETVPEPLTKEEREKHMKELTGVACASDAFFPFPDNVHRAK
RSGATYLAAPSGSIMDKECIKAADESNLVFCHTDLRLFHH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7mgq Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mgq AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		L436 T439 L602 H604
Binding residue
(residue number reindexed from 1)		L433 T436 L587 H589
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.2.3: phosphoribosylaminoimidazolecarboxamide formyltransferase.
3.5.4.10: IMP cyclohydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003937 IMP cyclohydrolase activity
GO:0004643 phosphoribosylaminoimidazolecarboxamide formyltransferase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mgq, PDBe:7mgq, PDBj:7mgq
PDBsum7mgq
PubMed36063996
UniProtA0A225ZZG7

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